SCHEMBL3918204

SCHEMBL3918204

Nc1c(Nc2cccc(C(F)(F)F)c2)ncnc1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.69
ABCG2 Q9UNQ0 2/20 0.66
TSHR P16473 1/20 0.64
HTT P42858 1/20 0.64
KDM4E B2RXH2 1/20 0.63
SYK P43405 1/20 0.59
THRB P10828 1/20 0.57
MAPT P10636 2/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KDR P35968 1/20 0.55
LMNA P02545 2/20 0.54
AR P10275 1/20 0.54
BRAF P15056 1/20 0.54
IDH2 P48735 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21159355 0.93 EGFR (0.64) EGFRABCG2TSHRHTTKDM4E
SCHEMBL3001623 0.82 EGFR (1.00) EGFRABCG2TSHRHTTBRAF
SCHEMBL15184021 0.82 EGFR (0.67) EGFRABCG2TSHRHTTKDM4E
SCHEMBL1095749 0.81 EGFR (0.58) EGFRABCG2TSHRHTTKDM4E
SCHEMBL2261546 0.81 EGFR (0.64) EGFRABCG2TSHRHTTKDM4E
SCHEMBL4239042 0.81 THRB (0.68) EGFRABCG2TSHRHTTKDM4E
SCHEMBL20119339 0.80 EGFR (0.58) EGFRABCG2TSHRHTTKDM4E
SCHEMBL30754777 0.80 LMNA (0.65) EGFRABCG2TSHRHTTTHRB
SCHEMBL16882281 0.80 EGFR (0.82) EGFRABCG2TSHRHTT
SCHEMBL6837287 0.80 EGFR (1.00) EGFRABCG2TSHRHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197902-A1 Use of Pyrimidine Compounds in the Preparation of Parasiticides NOVARTIS AG (CH) 2009-08-06 US disclosed
US-20070155757-A1 Use of pyrimidine compounds in the preparation of parasiticides FRUCHTEL JORG 2007-07-05 US disclosed
EP-1725539-A1 USE OF PYRIMIDINE COMPOUNDS IN THE PREPARATION OF PARASITICIDES Novartis AG (CH) 2006-11-29 EP disclosed
WO-2005085211-A1 USE OF PYRIMIDINE COMPOUNDS IN THE PREPARATION OF PARASITICIDES NOVARTIS AG (CH) 2005-09-15 WO disclosed
EP-1574502-A1 Use of pyrimidine compounds in the preparation of parasiticides Novartis AG (CH) 2005-09-14 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090197902-A1 Use of Pyrimidine Compounds in the Preparation of Parasiticides TYMP, TYMS, P2RX1 EGFR 4681/4885ABCG2 148/4885TSHR 1360/4885
US-20070155757-A1 Use of pyrimidine compounds in the preparation of parasiticides TYMP, TYMS, P2RX1 EGFR 4681/4885ABCG2 148/4885TSHR 1360/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.